2-azanyl-4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O3S/c1-2-19-13(12-28-15-8-6-14(24)7-9-15)10-20(30-19)21-16(11-25)23(26)29-18-5-3-4-17(27)22(18)21/h6-10,21H,2-5,12,26H2,1H3